5-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: 5-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: 1-benzyl-5-methyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-(phenylmethyl)-4-pyrazolecarboxylate IUPAC Name: 1-benzyl-5-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-methyl-pyrazole-4-carboxylate Formula: C12H11N2O2- MolecularWeight: 215.22794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC1=C(C=NN1CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C12H12N2O2/c1-9-11(12(15)16)7-13-14(9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16)/p-1